Octocrylene

Product Information

Molecular Formula:
C24H27NO2
Molecular Weight:
361.48
Description
Octocrylene is an organic compound used as an ingredient in sunscreens and cosmetics.
Synonyms
2-Ethylhexyl 2-cyano-3,3-diphenylacrylate;
2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate;
IUPAC Name
2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate
Canonical SMILES
CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N
InChI
1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
InChI Key
FMJSMJQBSVNSBF-UHFFFAOYSA-N
Boiling Point
218°C (1.5 mmHg)
Melting Point
-10°C(lit.)
Flash Point
453.2 °F
Purity
≥95%
Density
1.051
Solubility
Soluble in DMSO
Appearance
Light Yellow Sticky Oil
Application
Aromatics, Pharmaceuticals, Intermediates and Fine Chemicals,
Shelf Life
As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly
Storage
Store at -20 °C
Refractive Index
n20/D 1.567 (lit.)

Safety Information

Hazards
H412:
Harmful to aquatic life with long-lasting effects.
Precautionary Statement
P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
7.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
10
Exact Mass
361.204179104 g/mol
Monoisotopic Mass
361.204179104 g/mol
Topological Polar Surface Area
50.1Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
510
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114146010-A Anhydrous sunscreen gel containing oil-soluble sunscreen agent and preparation method thereof 2021-12-31
CN-114159329-A Biological sun-screening agent and preparation method thereof 2021-12-27
JP-2022031399-A Transparent compositions and transparent cosmetics 2021-12-23
CN-114177111-A Sunscreen spray and preparation method thereof 2021-12-20
JP-2022031355-A Pest control method 2021-12-15
CN-114129459-A Fullerene sunscreen repair emulsion and preparation method thereof 2021-12-01
CN-113952282-A Composition with whitening and sunscreen effects and preparation method and application thereof 2021-11-25
CN-114099360-A Ultraviolet absorbing composition having high absorbance 2021-11-24
DE-202021106362-U1 Cosmetic preparation for intensive care and treatment of facial skin 2021-11-22
DE-202021106363-U1 Cosmetic preparation for the care and treatment of facial skin 2021-11-22

Literatures

PMID Publication Date Title Journal
34864131 2022-02-01 Sunscreen filter octocrylene is a potential obesogen by acting as a PPARγ partial agonist Toxicology letters
32889307 2020-12-15 Unveiling complex responses at the molecular level: Transcriptional alterations by mixtures of bisphenol A, octocrylene, and 2'-ethylhexyl 4- (dimethylamino)benzoate on Chironomus riparius Ecotoxicology and environmental safety
22669305 2012-11-01 An overview of UV-absorbing compounds (organic UV filters) in aquatic biota Analytical and bioanalytical chemistry
22980125 2012-11-01 UV filters, ethylhexyl methoxycinnamate, octocrylene and ethylhexyl dimethyl PABA from untreated wastewater in sediment from eastern Mediterranean river transition and coastal zones Marine pollution bulletin
22957488 2012-10-01 Allergic contact dermatitis caused by octocrylene in a young child Contact dermatitis
22960810 2012-09-01 Contact allergy to topical corticosteroids and sunscreens Indian journal of dermatology, venereology and leprology
23035447 2012-09-01 Characterization and evaluation of poly(epsilon-caprolactone) nanoparticles containing 2-ethylhexyl-p-methoxycinnamate, octocrylene, and benzophenone-3 in anti-solar preparations Journal of nanoscience and nanotechnology
22428874 2012-07-01 Investigation of the sunscreen octocrylene's interaction with amino acid analogs in the presence of UV radiation Photochemistry and photobiology
22019204 2012-06-01 Occurrence and removal of benzotriazoles and ultraviolet filters in a municipal wastewater treatment plant Environmental pollution (Barking, Essex : 1987)
22214440 2012-06-01 Development and application of a HPLC method for eight sunscreen agents in suncare products International journal of cosmetic science
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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